| SpectraBase Compound ID | E5x48oqqARI |
|---|---|
| InChI | InChI=1S/C10H12N6O/c1-5(17)13-10-15-8-7(11-4-12-8)9(16-10)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,11,12,13,14,15,16,17) |
| InChIKey | XTJIWCWTXNLEDG-UHFFFAOYSA-N |
| Mol Weight | 232.25 g/mol |
| Molecular Formula | C10H12N6O |
| Exact Mass | 232.107259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OY0GTJAhEa |
|---|---|
| Name | Abacavir-m (N-dealkyl-) ac P516 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.107259029 u |
| Formula | C10H12N6O |
| InChI | InChI=1S/C10H12N6O/c1-5(17)13-10-15-8-7(11-4-12-8)9(16-10)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,11,12,13,14,15,16,17) |
| InChIKey | XTJIWCWTXNLEDG-UHFFFAOYSA-N |
| Molecular Weight | 232.247 g/mol |
| SMILES | CC(NC1=NC(NC2CC2)=C2N=CNC2=N1)=O |